2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

C15H17N5OS — CID 14152995

IUPAC2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)c2cc3ccccc3s2)n1
InChIInChI=1S/C15H17N5OS/c1-3-21-15-19-13(16)18-14(20-15)17-9(2)12-8-10-6-4-5-7-11(10)22-12/h4-9H,3H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyGBIIDWSWVZRCKL-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.24
Rot. Bonds5

About 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 14152995) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID14152995
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC(C)c2cc3ccccc3s2)n1
InChIInChI=1S/C15H17N5OS/c1-3-21-15-19-13(16)18-14(20-15)17-9(2)12-8-10-6-4-5-7-11(10)22-12/h4-9H,3H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyGBIIDWSWVZRCKL-UHFFFAOYSA-N
XLogP3.24
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 14152995) is 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NC(C)c2cc3ccccc3s2)n1.
What is the InChIKey of 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GBIIDWSWVZRCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-3-21-15-19-13(16)18-14(20-15)17-9(2)12-8-10-6-4-5-7-11(10)22-12/h4-9H,3H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14152995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).